| CAS Number | 876716-70-0 |
| Catalog Number | AG01A7UH(AGN-PC-0WBZW3) |
| Chemical Name | [3-(Azepan-1-ylmethyl)phenyl]methanamine |
| IUPAC Name | [3-(azepan-1-ylmethyl)phenyl]methanamine |
| InChI | InChI=1S/C14H22N2/c15-11-13-6-5-7-14(10-13)12-16-8-3-1-2-4-9-16/h5-7,10H,1-4,8-9,11-12,15H2 |
| InChI Key | SUTMDIQABALFGJ-UHFFFAOYSA-N |
| MDL Number | MFCD07801132 |
| Molecular Formula | C14H22N2 |
| Molecular Weight | 218.3379 |
| SMILES | NCC1=CC(CN2CCCCCC2)=CC=C1 |
| Synonyms | 3-Azepan-1-ylmethyl-benzylamine,
876716-70-0,
[3-(azepan-1-ylmethyl)phenyl]methanamine,
(3-(Azepan-1-ylmethyl)phenyl)methanamine,
[3-(azaperhydroepinylmethyl)phenyl]methylamine,
BAS 10150496,
AC1O5HAD,
AC1Q53UY,
1-[3-(AZEPAN-1-YLMETHYL)PHENYL]METHANAMINE,
CTK7E5386,
ZINC6677786,
1355AF,
SBB011395,
AKOS000151250,
MCULE-5108446658,
ST077900,
TR-055987,
EN300-59842,
C14H22N2,
CID6484185,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.344g/mol |
| Monoisotopic Mass | 218.178g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number